SCHEMBL725448

SCHEMBL725448

CNCc1c(C)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
CYP3A4 P08684 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HTT P42858 3/20 0.59
TSHR P16473 1/20 0.59
KDM4E B2RXH2 3/20 0.57
POLB P06746 1/20 0.57
GAA P10253 2/20 0.56
HTR6 P50406 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
KRAS P01116 1/20 0.54
AHR P35869 1/20 0.52
HPGD P15428 2/20 0.49
PABPC1 P11940 1/20 0.49
ALOX15 P16050 1/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNA7 P36544 2/20 0.49
CHRNA4 P43681 2/20 0.49
LMNA P02545 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19846955 0.86 HTT (0.69) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL18383120 0.84 MAPT (0.69) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL2077801 0.82 CHRNB2 (0.67) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL14434321 0.82 MAPT (0.57) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL28857518 0.80 CHRNB2 (0.47) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL669111 0.79 HTT (0.73) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL6920607 0.78 MAPT (0.61) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL6216616 0.77 CHRNB2 (0.55) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL9664534 0.77 MAPT (0.65) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL4423600 0.77 MAPT (0.65) MAPTCYP3A4ALDH1A1HTTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
US-8450307-B2 Therapeutic agents, and methods of making and using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-05-28 US disclosed
EP-2579863-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS Affinium Pharmaceuticals, Inc. (CA) 2013-04-17 EP disclosed
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 WO disclosed
EP-1330515-A1 METHODS OF AGONIZING AND ANTAGONIZING FABK SmithKline Beecham Corporation (US) 2003-07-30 EP disclosed
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1225895-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-11-13 EP disclosed
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN disclosed
EP-1225895-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
WO-2002031128-A1 METHODS OF AGONIZING AND ANTAGONIZING FABK SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 WO disclosed
WO-2001026654-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 MAPT 2755/4885CYP3A4 3624/4885ALDH1A1 745/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF MAPT 3883/4885CYP3A4 4356/4885ALDH1A1 4188/4885
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 MAPT 3522/4885CYP3A4 3045/4885ALDH1A1 2015/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.